ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate

C13H19NO4S — CID 78945722

IUPACethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1sccc1OC)C(C)C
InChIInChI=1S/C13H19NO4S/c1-5-18-11(15)8-14(9(2)3)13(16)12-10(17-4)6-7-19-12/h6-7,9H,5,8H2,1-4H3
InChIKeyVSFVNOGYLRJOEG-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.17
Rot. Bonds6

About ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate

ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate (PubChem CID 78945722) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate
PubChem CID78945722
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nameethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)c1sccc1OC)C(C)C
InChIInChI=1S/C13H19NO4S/c1-5-18-11(15)8-14(9(2)3)13(16)12-10(17-4)6-7-19-12/h6-7,9H,5,8H2,1-4H3
InChIKeyVSFVNOGYLRJOEG-UHFFFAOYSA-N
XLogP2.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate (CID 78945722) is ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)c1sccc1OC)C(C)C.
What is the InChIKey of ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is VSFVNOGYLRJOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-5-18-11(15)8-14(9(2)3)13(16)12-10(17-4)6-7-19-12/h6-7,9H,5,8H2,1-4H3.
What are the key properties of ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate?
ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 285.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methoxythiophene-2-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 78945722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).